Information card for entry 2230468

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(4-fluorophenyl)methanone
• Formula: C19 H15 F O3
• Calculated formula: C19 H15 F O3
• SMILES: Fc1ccc(C(=O)c2c(OC)ccc3ccc(OC)cc23)cc1
• Title of publication: (2,7-Dimethoxynaphthalen-1-yl)(4-fluorophenyl)methanone
• Authors of publication: Watanabe, Shoji; Muto, Toyokazu; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1466
• a: 10.9714 ± 0.0002 Å
• b: 7.51791 ± 0.00014 Å
• c: 18.7832 ± 0.0003 Å
• α: 90°
• β: 99.917 ± 0.001°
• γ: 90°
• Cell volume: 1526.13 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes